Information card for entry 4344962

Structure parameters

• Formula: C67 H68 Cl3 Co Cu N23 O12
• Calculated formula: C67 H68 Cl3 Co Cu N23 O12
• SMILES: C1c2cn(Cc3ccccc3)n[n]2[Cu]23([N]1(Cc1cn(Cc4ccccc4)n[n]21)Cc1cn(Cc2ccccc2)n[n]31)[N](=N#N)[Co]123[N](Cc4cn(Cc5ccccc5)n[n]14)(Cc1cn(Cc4ccccc4)n[n]21)Cc1cn(Cc2ccccc2)n[n]31.c1(C)ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Control of Complex Formation through Peripheral Substituents in Click-Tripodal Ligands: Structural Diversity in Homo- and Heterodinuclear Cobalt-Azido Complexes.
• Authors of publication: Sommer, Michael G.; Marx, Raphael; Schweinfurth, David; Rechkemmer, Yvonne; Neugebauer, Petr; van der Meer, Margarethe; Hohloch, Stephan; Demeshko, Serhiy; Meyer, Franc; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 402 - 413
• a: 17.038 ± 0.005 Å
• b: 15.975 ± 0.004 Å
• c: 27.222 ± 0.007 Å
• α: 90°
• β: 104.379 ± 0.006°
• γ: 90°
• Cell volume: 7177 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No